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Iron in PDB 7r4c: Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)

Enzymatic activity of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)

All present enzymatic activity of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map):
1.6.5.3; 1.6.99.3; 7.1.1.2;

Other elements in 7r4c:

The structure of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Potassium (K) 1 atom
Iodine (I) 2 atoms
Chlorine (Cl) 2 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) (pdb code 7r4c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map), PDB code: 7r4c:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in 7r4c

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Iron binding site 1 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:24.9
occ:1.00
 FE1 B:SF4201 0.0 24.9 1.0
SG B:CYS119 2.3 21.6 1.0
S2 B:SF4201 2.3 24.9 1.0
S4 B:SF4201 2.3 24.9 1.0
S3 B:SF4201 2.3 24.9 1.0
FE3 B:SF4201 2.7 24.9 1.0
FE2 B:SF4201 2.8 24.9 1.0
FE4 B:SF4201 2.8 24.9 1.0
CB B:CYS119 3.2 21.6 1.0
O B:HOH353 3.4 21.4 1.0
OG1 B:THR91 3.8 24.9 1.0
S1 B:SF4201 3.9 24.9 1.0
N B:CYS119 4.0 21.6 1.0
O B:HOH319 4.1 22.9 1.0
CA B:CYS119 4.2 21.6 1.0
SG B:CYS149 4.4 21.1 1.0
CQ2 D:2MR85 4.5 24.6 1.0
CE2 B:TYR126 4.7 21.8 1.0
N B:THR91 4.8 24.9 1.0
SG B:CYS55 4.8 24.5 1.0
SG B:CYS54 5.0 24.6 1.0

Iron binding site 2 out of 28 in 7r4c

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Iron binding site 2 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:24.9
occ:1.00
 FE2 B:SF4201 0.0 24.9 1.0
SG B:CYS149 2.2 21.1 1.0
S1 B:SF4201 2.3 24.9 1.0
S3 B:SF4201 2.3 24.9 1.0
S4 B:SF4201 2.3 24.9 1.0
FE4 B:SF4201 2.7 24.9 1.0
FE1 B:SF4201 2.8 24.9 1.0
FE3 B:SF4201 2.8 24.9 1.0
CA B:CYS149 3.3 21.1 1.0
CB B:CYS149 3.3 21.1 1.0
C B:CYS149 3.5 21.1 1.0
O B:HOH353 3.8 21.4 1.0
S2 B:SF4201 3.9 24.9 1.0
O B:CYS149 3.9 21.1 1.0
N B:PRO150 4.0 23.2 1.0
NE D:ARG105 4.2 22.4 1.0
CD2 D:HIS190 4.3 24.1 1.0
CA B:PRO150 4.4 23.2 1.0
NE2 D:HIS190 4.5 24.1 1.0
SG B:CYS55 4.6 24.5 1.0
N B:CYS149 4.7 21.1 1.0
SG B:CYS119 4.7 21.6 1.0
NH2 D:ARG105 4.7 22.4 1.0
CD B:PRO150 4.8 23.2 1.0
CB B:CYS54 4.8 24.6 1.0
SG B:CYS54 4.8 24.6 1.0
O B:GLY148 4.8 21.3 1.0
CZ D:ARG105 4.9 22.4 1.0
CB B:PRO150 4.9 23.2 1.0
CD D:ARG105 5.0 22.4 1.0

Iron binding site 3 out of 28 in 7r4c

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Iron binding site 3 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:24.9
occ:1.00
 FE3 B:SF4201 0.0 24.9 1.0
S4 B:SF4201 2.3 24.9 1.0
S2 B:SF4201 2.3 24.9 1.0
S1 B:SF4201 2.3 24.9 1.0
SG B:CYS54 2.3 24.6 1.0
CB B:CYS54 2.6 24.6 1.0
FE1 B:SF4201 2.7 24.9 1.0
FE2 B:SF4201 2.8 24.9 1.0
FE4 B:SF4201 2.8 24.9 1.0
CQ2 D:2MR85 3.7 24.6 1.0
NE2 D:HIS190 3.7 24.1 1.0
CA B:CYS54 3.8 24.6 1.0
S3 B:SF4201 3.9 24.9 1.0
N B:CYS54 3.9 24.6 1.0
CG D:ARG105 4.3 22.4 1.0
N B:CYS55 4.4 24.5 1.0
CD2 D:HIS190 4.4 24.1 1.0
C B:CYS54 4.5 24.6 1.0
NE D:ARG105 4.7 22.4 1.0
SG B:CYS149 4.7 21.1 1.0
CE1 D:HIS190 4.7 24.1 1.0
CD D:ARG105 4.7 22.4 1.0
SG B:CYS119 4.8 21.6 1.0
NH2 D:2MR85 4.8 24.6 1.0
CB D:ARG105 4.8 22.4 1.0
SG B:CYS55 4.9 24.5 1.0
CB B:ALA53 5.0 25.7 1.0

Iron binding site 4 out of 28 in 7r4c

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Iron binding site 4 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:24.9
occ:1.00
 FE4 B:SF4201 0.0 24.9 1.0
S3 B:SF4201 2.3 24.9 1.0
S1 B:SF4201 2.3 24.9 1.0
S2 B:SF4201 2.3 24.9 1.0
SG B:CYS55 2.3 24.5 1.0
FE2 B:SF4201 2.7 24.9 1.0
FE1 B:SF4201 2.8 24.9 1.0
FE3 B:SF4201 2.8 24.9 1.0
CB B:CYS55 3.4 24.5 1.0
N B:CYS55 3.5 24.5 1.0
O B:HOH319 3.7 22.9 1.0
CB B:CYS54 3.8 24.6 1.0
CA B:CYS55 3.9 24.5 1.0
S4 B:SF4201 3.9 24.9 1.0
CB B:PRO150 4.3 23.2 1.0
CA B:PRO150 4.4 23.2 1.0
C B:CYS54 4.4 24.6 1.0
CA B:CYS54 4.6 24.6 1.0
SG B:CYS54 4.7 24.6 1.0
N B:PRO150 4.7 23.2 1.0
N B:CYS54 4.7 24.6 1.0
CA B:GLY90 4.7 25.1 1.0
CA B:GLY117 4.7 22.3 1.0
SG B:CYS119 4.8 21.6 1.0
CA B:CYS149 4.8 21.1 1.0
SG B:CYS149 4.9 21.1 1.0
C B:CYS149 5.0 21.1 1.0

Iron binding site 5 out of 28 in 7r4c

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Iron binding site 5 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe301

b:44.0
occ:1.00
 FE1 E:FES301 0.0 44.0 1.0
S2 E:FES301 2.2 44.0 1.0
S1 E:FES301 2.2 44.0 1.0
SG E:CYS103 2.3 40.8 1.0
SG E:CYS108 2.3 41.2 1.0
FE2 E:FES301 2.7 44.0 1.0
CB E:CYS108 3.2 41.2 1.0
CB E:CYS103 3.3 40.8 1.0
CA E:CYS144 4.0 38.8 1.0
N E:CYS108 4.1 41.2 1.0
CA E:CYS108 4.2 41.2 1.0
N E:LEU145 4.2 40.4 1.0
SG E:CYS144 4.5 38.8 1.0
CB E:CYS144 4.6 38.8 1.0
CA E:CYS103 4.6 40.8 1.0
C E:CYS144 4.7 38.8 1.0
C E:CYS103 4.7 40.8 1.0
SG E:CYS148 4.8 42.5 1.0
CA E:CYS148 4.8 42.5 1.0
CG E:MET153 4.8 43.9 1.0
O E:THR105 4.9 38.8 1.0
N E:CYS144 4.9 38.8 1.0
CB E:THR105 4.9 38.8 1.0
N E:THR105 4.9 38.8 1.0
O E:CYS103 4.9 40.8 1.0
SD E:MET153 5.0 43.9 1.0

Iron binding site 6 out of 28 in 7r4c

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Iron binding site 6 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe301

b:44.0
occ:1.00
 FE2 E:FES301 0.0 44.0 1.0
S2 E:FES301 2.2 44.0 1.0
S1 E:FES301 2.2 44.0 1.0
SG E:CYS148 2.3 42.5 1.0
SG E:CYS144 2.3 38.8 1.0
FE1 E:FES301 2.7 44.0 1.0
CB E:CYS144 3.3 38.8 1.0
CB E:CYS148 3.4 42.5 1.0
CA E:CYS148 3.6 42.5 1.0
CA E:CYS144 3.6 38.8 1.0
N E:CYS148 3.9 42.5 1.0
N E:LEU145 4.0 40.4 1.0
N E:GLY146 4.1 41.1 1.0
C E:CYS144 4.2 38.8 1.0
N F:GLY103 4.3 40.2 1.0
N E:ALA147 4.3 42.3 1.0
SG E:CYS103 4.3 40.8 1.0
C E:ALA147 4.5 42.3 1.0
SG E:CYS108 4.5 41.2 1.0
CB E:PRO107 4.6 39.9 1.0
CA E:GLY146 4.7 41.1 1.0
CG E:PRO107 4.8 39.9 1.0
CA F:PRO102 4.9 37.7 1.0
N E:CYS144 4.9 38.8 1.0
C E:GLY146 4.9 41.1 1.0
C E:LEU145 5.0 40.4 1.0

Iron binding site 7 out of 28 in 7r4c

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Iron binding site 7 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe502

b:30.0
occ:1.00
 FE1 F:SF4502 0.0 30.0 1.0
S3 F:SF4502 2.3 30.0 1.0
S4 F:SF4502 2.3 30.0 1.0
S2 F:SF4502 2.3 30.0 1.0
SG F:CYS362 2.3 25.1 1.0
FE2 F:SF4502 2.7 30.0 1.0
FE3 F:SF4502 2.7 30.0 1.0
FE4 F:SF4502 2.7 30.0 1.0
CB F:CYS362 3.4 25.1 1.0
N F:CYS362 3.7 25.1 1.0
S1 F:SF4502 3.9 30.0 1.0
CB F:CYS365 4.0 26.2 1.0
CA F:CYS362 4.1 25.1 1.0
N F:ILE404 4.1 26.4 1.0
O F:CYS362 4.2 25.1 1.0
CB F:ILE404 4.3 26.4 1.0
CB F:THR403 4.4 27.1 1.0
SG F:CYS365 4.5 26.2 1.0
C F:CYS362 4.5 25.1 1.0
N F:CYS405 4.6 28.2 1.0
CB F:GLN361 4.7 26.6 1.0
SG F:CYS359 4.8 28.2 1.0
CA F:ILE404 4.8 26.4 1.0
C F:GLN361 4.8 26.6 1.0
N F:GLN361 4.8 26.6 1.0
CG2 F:THR403 4.8 27.1 1.0
CG1 F:ILE404 4.8 26.4 1.0
SG F:CYS405 4.9 28.2 1.0
CD1 F:ILE404 4.9 26.4 1.0

Iron binding site 8 out of 28 in 7r4c

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Iron binding site 8 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe502

b:30.0
occ:1.00
 FE2 F:SF4502 0.0 30.0 1.0
SG F:CYS365 2.2 26.2 1.0
S4 F:SF4502 2.3 30.0 1.0
S3 F:SF4502 2.3 30.0 1.0
S1 F:SF4502 2.3 30.0 1.0
FE1 F:SF4502 2.7 30.0 1.0
FE4 F:SF4502 2.7 30.0 1.0
FE3 F:SF4502 2.7 30.0 1.0
CB F:CYS365 3.0 26.2 1.0
OG F:SER358 3.5 29.8 1.0
S2 F:SF4502 3.9 30.0 1.0
CD2 F:LEU407 4.1 30.9 1.0
N F:CYS359 4.3 28.2 1.0
CB F:SER358 4.3 29.8 1.0
CA F:CYS365 4.4 26.2 1.0
CA F:SER358 4.4 29.8 1.0
CB F:LEU407 4.5 30.9 1.0
SG F:CYS362 4.6 25.1 1.0
SG F:CYS405 4.7 28.2 1.0
C F:CYS365 4.7 26.2 1.0
N F:GLY408 4.8 30.5 1.0
CG F:LEU407 4.8 30.9 1.0
N F:GLY360 4.8 27.0 1.0
C F:SER358 4.8 29.8 1.0
SG F:CYS359 4.8 28.2 1.0
N F:ARG366 4.9 25.8 1.0

Iron binding site 9 out of 28 in 7r4c

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Iron binding site 9 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe502

b:30.0
occ:1.00
 FE3 F:SF4502 0.0 30.0 1.0
SG F:CYS405 2.2 28.2 1.0
S4 F:SF4502 2.3 30.0 1.0
S2 F:SF4502 2.3 30.0 1.0
S1 F:SF4502 2.3 30.0 1.0
FE4 F:SF4502 2.7 30.0 1.0
FE2 F:SF4502 2.7 30.0 1.0
FE1 F:SF4502 2.7 30.0 1.0
CB F:CYS405 3.5 28.2 1.0
N F:CYS405 3.8 28.2 1.0
S3 F:SF4502 3.9 30.0 1.0
CA F:CYS405 4.0 28.2 1.0
CG F:PRO203 4.1 29.5 1.0
CB F:LEU407 4.1 30.9 1.0
CD1 F:ILE185 4.3 31.2 1.0
C F:CYS405 4.4 28.2 1.0
O F:CYS405 4.4 28.2 1.0
CD F:PRO203 4.5 29.5 1.0
N F:LEU407 4.7 30.9 1.0
SG F:CYS359 4.7 28.2 1.0
SG F:CYS365 4.8 26.2 1.0
SG F:CYS362 4.8 25.1 1.0
N F:GLY408 4.9 30.5 1.0
C F:ILE404 4.9 26.4 1.0
CA F:LEU407 5.0 30.9 1.0
CB F:ILE404 5.0 26.4 1.0

Iron binding site 10 out of 28 in 7r4c

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Iron binding site 10 out of 28 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe502

b:30.0
occ:1.00
 FE4 F:SF4502 0.0 30.0 1.0
SG F:CYS359 2.3 28.2 1.0
S3 F:SF4502 2.3 30.0 1.0
S1 F:SF4502 2.3 30.0 1.0
S2 F:SF4502 2.3 30.0 1.0
FE3 F:SF4502 2.7 30.0 1.0
FE2 F:SF4502 2.7 30.0 1.0
FE1 F:SF4502 2.7 30.0 1.0
CB F:CYS359 3.4 28.2 1.0
N F:CYS359 3.7 28.2 1.0
N F:GLN361 3.8 26.6 1.0
S4 F:SF4502 3.9 30.0 1.0
CA F:CYS359 3.9 28.2 1.0
N F:GLY360 3.9 27.0 1.0
CB F:GLN361 4.0 26.6 1.0
C F:CYS359 4.2 28.2 1.0
CD F:PRO203 4.2 29.5 1.0
CA F:GLN361 4.4 26.6 1.0
N F:CYS362 4.5 25.1 1.0
NE2 F:GLN361 4.6 26.6 1.0
SG F:CYS405 4.7 28.2 1.0
OG F:SER358 4.7 29.8 1.0
C F:GLY360 4.7 27.0 1.0
CG F:PRO203 4.8 29.5 1.0
C F:SER358 4.8 29.8 1.0
SG F:CYS365 4.8 26.2 1.0
CA F:GLY360 4.8 27.0 1.0
SG F:CYS362 4.9 25.1 1.0
CD1 F:ILE185 5.0 31.2 1.0
CG1 F:ILE185 5.0 31.2 1.0

Reference:

H.R.Bridges, J.N.Blaza, Z.Yin, I.Chung, M.N.Pollak, J.Hirst. Structural Basis of Mammalian Respiratory Complex I Inhibition By Medicinal Biguanides. Science V. 379 351 2023.
ISSN: ESSN 1095-9203
PubMed: 36701435
DOI: 10.1126/SCIENCE.ADE3332
Page generated: Thu Aug 8 22:50:37 2024

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